SCHEMBL9876844

SCHEMBL9876844

CCCCc1ccc(C(=O)N(NC(=O)c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
HPGD P15428 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
ABCB1 P08183 2/20 0.63
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 1/20 0.61
TRPV1 Q8NER1 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10719160 1.00 POLB (0.70) POLBHPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL10718691 0.92 POLB (0.74) POLBHPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL10722196 0.92 POLB (0.74) POLBHPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL10721968 0.89 HPGD (0.66) POLBHPGDSMN1; SMN2ABCB1CYP3A4
Hydrochloric Acid SCHEMBL8180457 0.88 HPGD (0.64) POLBHPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL10720152 0.87 ABCB1 (0.70) POLBHPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL9714554 0.87 HPGD (0.89) POLBHPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL8773650 0.87 HPGD (0.89) POLBHPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL10720191 0.84 HPGD (0.63) POLBHPGDSMN1; SMN2ABCB1CYP3A4
Rh-5849 SCHEMBL1538531 0.84 POLB (1.00) POLBHPGDSMN1; SMN2ABCB1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 US disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 EP disclosed